5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one

C15H26N2O2 — CID 2837133

IUPAC5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCCN2CCOCC2)C1
InChIInChI=1S/C15H26N2O2/c1-15(2)11-13(10-14(18)12-15)16-4-3-5-17-6-8-19-9-7-17/h10,16H,3-9,11-12H2,1-2H3
InChIKeyNKJOSZSGACTJLC-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.57
Rot. Bonds5

About 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one (PubChem CID 2837133) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one
PubChem CID2837133
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCCCN2CCOCC2)C1
InChIInChI=1S/C15H26N2O2/c1-15(2)11-13(10-14(18)12-15)16-4-3-5-17-6-8-19-9-7-17/h10,16H,3-9,11-12H2,1-2H3
InChIKeyNKJOSZSGACTJLC-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
3-(2-Hydroxyethylamino)-5,5-dimethyl-2-cyclohexen-1-one
CID 333140
5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
CID 777230
5,5-Dimethyl-3-piperazin-1-yl-cyclohex-2-enone
CID 648131
Ethyl 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]acetate
CID 12872129
5,5-Dimethyl-3-(morpholin-4-ylamino)-cyclohex-2-enone
CID 768135
5,5-Dimethyl-3-[(piperidin-4-ylmethyl)amino]cyclohex-2-en-1-one
CID 557615
5,5-Dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one
CID 781026
5,5-Dimethyl-3-[2-(2-vinyloxyethylamino)ethyl-amino]cyclohex-2-en-1-one
CID 129740910
3-[(2-Methoxyethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 4056701
2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
CID 4686337
3-(2,2-Diethoxyethylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 86228169

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one (CID 2837133) is 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NCCCN2CCOCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one?
The InChIKey is NKJOSZSGACTJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2)11-13(10-14(18)12-15)16-4-3-5-17-6-8-19-9-7-17/h10,16H,3-9,11-12H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-morpholin-4-ylpropylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 2837133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).